1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid

CAS: 496918-99-1

Formula: C12H15NO4

SMILES: CC1=CC(C(=O)N2CCCC2C(O)=O)=C(C)O1

IUPAC: 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1/C12H15NO4/c1-7-6-9(8(2)17-7)11(14)13-5-3-4-10(13)12(15)16/h6,10H,3-5H2,1-2H3,(H,15,16)

Composition: C (60.75%), H (6.37%), N (5.90%), O (26.97%)

Molar Mass: 237.255

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	237.100107967
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SEFHWPWYVWQJKX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.11
Topological Polar Surface Area	70.75
Polarizability	22.66
Ring Count	2
Rotatable Bond Count	2

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	496918-99-1		$404.27$404.27